4-[[2-[2-(3-fluorophenoxy)ethyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide

C20H24FN3O3 — CID 55841289

IUPAC4-[[2-[2-(3-fluorophenoxy)ethyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(CCOc1cccc(F)c1)CC(=O)Nc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C20H24FN3O3/c1-23(2)20(26)15-7-9-17(10-8-15)22-19(25)14-24(3)11-12-27-18-6-4-5-16(21)13-18/h4-10,13H,11-12,14H2,1-3H3,(H,22,25)
InChIKeyZTXOOMQEDQVMPQ-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.48
Rot. Bonds8

About 4-[[2-[2-(3-fluorophenoxy)ethyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide

4-[[2-[2-(3-fluorophenoxy)ethyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 55841289) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is 4-[[2-[2-(3-fluorophenoxy)ethyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[2-[2-(3-fluorophenoxy)ethyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide
PubChem CID55841289
Molecular FormulaC20H24FN3O3
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC Name4-[[2-[2-(3-fluorophenoxy)ethyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(CCOc1cccc(F)c1)CC(=O)Nc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C20H24FN3O3/c1-23(2)20(26)15-7-9-17(10-8-15)22-19(25)14-24(3)11-12-27-18-6-4-5-16(21)13-18/h4-10,13H,11-12,14H2,1-3H3,(H,22,25)
InChIKeyZTXOOMQEDQVMPQ-UHFFFAOYSA-N
XLogP2.48
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-bromophenoxy)ethyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9252759
2-[2-(3-fluorophenoxy)ethyl-methylamino]-N-(3-sulfamoylphenyl)acetamide
CID 55839888
N-(4-acetylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 8797842
N-(3-fluoro-4-methylphenyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
CID 26426089
N-(4-fluorophenyl)-2-[[2-[methyl(2-phenoxyethyl)amino]acetyl]amino]acetamide
CID 8797411
N-(3-acetylphenyl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide
CID 18094840
4-[[2-[benzyl(methyl)amino]acetyl]amino]-N,N-dimethylbenzamide
CID 8900899
4-[4-(3-bromophenoxy)butanoylamino]-N,N-dimethylbenzamide
CID 8698575
N,N-dimethyl-4-[[2-(3-propoxyanilino)acetyl]amino]benzamide
CID 36860927
2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253551
2-[methyl(2-phenoxyethyl)amino]-N-(3-methylphenyl)acetamide
CID 8797607
2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(3-methylsulfanylphenyl)acetamide
CID 27121782

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[2-(3-fluorophenoxy)ethyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[2-[2-(3-fluorophenoxy)ethyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide (CID 55841289) is 4-[[2-[2-(3-fluorophenoxy)ethyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[2-[2-(3-fluorophenoxy)ethyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[2-[2-(3-fluorophenoxy)ethyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide is CN(CCOc1cccc(F)c1)CC(=O)Nc1ccc(C(=O)N(C)C)cc1.
What is the InChIKey of 4-[[2-[2-(3-fluorophenoxy)ethyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is ZTXOOMQEDQVMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3/c1-23(2)20(26)15-7-9-17(10-8-15)22-19(25)14-24(3)11-12-27-18-6-4-5-16(21)13-18/h4-10,13H,11-12,14H2,1-3H3,(H,22,25).
What are the key properties of 4-[[2-[2-(3-fluorophenoxy)ethyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide?
4-[[2-[2-(3-fluorophenoxy)ethyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 373.43 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[2-(3-fluorophenoxy)ethyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 55841289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).